%chk=000261979.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261979

0 1
O 5.316521 -1.570325 0.411538
O -5.316437 -1.570990 -0.409727
O 4.931063 2.493286 -0.388127
O -4.931059 2.493708 0.384437
N 3.778378 -0.013775 -0.251441
N -3.778321 -0.013514 0.251139
C 1.488643 -0.984473 -0.023297
C -1.488571 -0.984472 0.024305
C 0.675515 -2.249867 -0.361708
C 0.675504 0.278933 -0.363996
C -0.675418 -2.249390 0.364424
C -0.675461 0.279409 0.363298
C 2.829752 -1.015998 -0.791626
C -2.829675 -1.014987 0.792678
C 4.971527 -0.401184 0.330921
C -4.971468 -0.401733 -0.330690
C 5.843178 0.709069 0.905353
C -5.843137 0.707724 -0.906628
C 5.918779 1.985441 0.098562
C -5.918764 1.985186 -0.101567
C 7.279759 2.592758 -0.035202
C -7.279757 2.592656 0.031376
H 1.705303 -0.985518 1.073553
H -1.705233 -0.987003 -1.072542
H 0.513489 -2.318156 -1.454415
H 1.247221 -3.154726 -0.079224
H 1.244271 1.186024 -0.086563
H 0.513117 0.342989 -1.456885
H -0.513392 -2.316199 1.457223
H -1.247107 -3.154641 0.083163
H -1.244249 1.186111 0.084640
H -0.513076 0.344944 1.456100
H 3.291846 -2.031798 -0.714945
H 2.672406 -0.818434 -1.874596
H -3.291747 -2.030900 0.717369
H -2.672329 -0.815956 1.875379
H 3.521625 0.974153 -0.344771
H -3.521582 0.974543 0.343125
H 6.853109 0.271206 1.079507
H 5.468655 0.950742 1.926736
H -6.853061 0.269607 -1.080191
H -5.468615 0.948020 -1.928336
H 7.946327 1.956679 -0.637346
H 7.232853 3.572442 -0.537733
H 7.770492 2.745316 0.935141
H -7.770490 2.743898 -0.939173
H -7.232871 3.573017 0.532587
H -7.946314 1.957376 0.634373


%chk=000261979-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000261979

0 1
O 4.819412 -1.172121 1.411401
O -4.816103 -1.170485 -1.411357
O 4.973744 2.245656 -1.200345
O -4.976392 2.248873 1.197550
N 3.758990 -0.099381 -0.373131
N -3.757359 -0.094719 0.372321
C 1.507506 -1.193842 0.007870
C -1.506576 -1.191915 -0.006700
C 0.695090 -2.466830 -0.336288
C 0.693044 0.073581 -0.347077
C -0.695722 -2.465060 0.340504
C -0.690457 0.075445 0.344695
C 2.880679 -1.232625 -0.709073
C -2.879477 -1.227496 0.710907
C 4.660897 -0.160513 0.659206
C -4.658718 -0.157806 -0.660382
C 5.493253 1.122585 0.915455
C -5.491991 1.124384 -0.918311
C 5.801621 2.048566 -0.261837
C -5.803550 2.049394 0.258907
C 7.153752 2.738147 -0.248421
C -7.157945 2.734490 0.245532
H 1.702642 -1.191054 1.101167
H -1.702126 -1.191721 -1.099920
H 0.563754 -2.526912 -1.437980
H 1.260947 -3.369288 -0.030756
H 1.259429 0.981220 -0.060845
H 0.550666 0.114996 -1.448830
H -0.564413 -2.522646 1.442334
H -1.262775 -3.367526 0.037208
H -1.255735 0.982986 0.055985
H -0.547962 0.119711 1.446325
H 3.410482 -2.161505 -0.428941
H 2.726822 -1.235349 -1.806213
H -3.409926 -2.156889 0.433636
H -2.725164 -1.227248 1.807980
H 3.752169 0.762086 -0.938241
H -3.751884 0.767204 0.936729
H 6.422273 0.806525 1.418294
H 4.929798 1.722957 1.661806
H -6.419654 0.807266 -1.422942
H -4.927697 1.725655 -1.663281
H 7.951101 1.990526 -0.428016
H 7.201021 3.509523 -1.032096
H 7.358194 3.188371 0.740656
H -7.363500 3.184809 -0.743273
H -7.208080 3.505098 1.029784
H -7.952880 1.984074 0.424200


